Geometry & MOs

Info

ID:	137761
PubChem CID:	52258593
Reduced:	ClFO2N3H15C17 (1)
Stoich.:	ABC2D3E15F17 (1)
Weight, g/mol:	382.24811
ΔH_f, kcal/mol:	-58.78
Dipole, Da:	4.17
IP(EA), eV:	-9.09(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,6-diethylphenyl)-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]urea

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)F)C#N)NCCNC(=O)COC2=CC=C(C=C2)Cl

DOS

IR

Vibrations